N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide

C24H24N2O — CID 1067822

IUPACN-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide
SMILESN#CC1=C(NC(=O)Cc2ccccc2)c2ccccc2CC12CCCCC2
InChIInChI=1S/C24H24N2O/c25-17-21-23(26-22(27)15-18-9-3-1-4-10-18)20-12-6-5-11-19(20)16-24(21)13-7-2-8-14-24/h1,3-6,9-12H,2,7-8,13-16H2,(H,26,27)
InChIKeyXMKBFDGJGDPTLV-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.79
Rot. Bonds3

About N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide

N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide (PubChem CID 1067822) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide
PubChem CID1067822
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC NameN-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide
SMILESN#CC1=C(NC(=O)Cc2ccccc2)c2ccccc2CC12CCCCC2
InChIInChI=1S/C24H24N2O/c25-17-21-23(26-22(27)15-18-9-3-1-4-10-18)20-12-6-5-11-19(20)16-24(21)13-7-2-8-14-24/h1,3-6,9-12H,2,7-8,13-16H2,(H,26,27)
InChIKeyXMKBFDGJGDPTLV-UHFFFAOYSA-N
XLogP4.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide?
The IUPAC name of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide (CID 1067822) is N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide?
The canonical SMILES for N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide is N#CC1=C(NC(=O)Cc2ccccc2)c2ccccc2CC12CCCCC2.
What is the InChIKey of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide?
The InChIKey is XMKBFDGJGDPTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c25-17-21-23(26-22(27)15-18-9-3-1-4-10-18)20-12-6-5-11-19(20)16-24(21)13-7-2-8-14-24/h1,3-6,9-12H,2,7-8,13-16H2,(H,26,27).
What are the key properties of N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide?
N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide has a molecular weight of 356.47 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)-2-phenylacetamide is sourced from PubChem (CID 1067822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).